N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine

C12H12BrNS — CID 4792507

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine
SMILESBrc1csc(CNCc2ccccc2)c1
InChIInChI=1S/C12H12BrNS/c13-11-6-12(15-9-11)8-14-7-10-4-2-1-3-5-10/h1-6,9,14H,7-8H2
InChIKeyJKMXHZNPYCHJSJ-UHFFFAOYSA-N
MW282.21 g/mol
LogP3.80
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine

N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine (PubChem CID 4792507) has the molecular formula C12H12BrNS and a molecular weight of 282.21 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine
PubChem CID4792507
Molecular FormulaC12H12BrNS
Molecular Weight282.21 g/mol
Exact Mass280.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine
SMILESBrc1csc(CNCc2ccccc2)c1
InChIInChI=1S/C12H12BrNS/c13-11-6-12(15-9-11)8-14-7-10-4-2-1-3-5-10/h1-6,9,14H,7-8H2
InChIKeyJKMXHZNPYCHJSJ-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 28833082
N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
CID 28833347
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 28833084
N-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115579770
N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 47331653
1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81327681
2-bromo-4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenol
CID 60957070
(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine
CID 28833188
N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66397930
1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine
CID 79419312
N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010902
4-[[(4-bromothiophen-2-yl)methylamino]methyl]-2-fluorobenzoic acid
CID 106700156

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine (CID 4792507) is N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine is Brc1csc(CNCc2ccccc2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine?
The InChIKey is JKMXHZNPYCHJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS/c13-11-6-12(15-9-11)8-14-7-10-4-2-1-3-5-10/h1-6,9,14H,7-8H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine?
N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine has a molecular weight of 282.21 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 4792507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).